Methyl 3-methoxysalicylate
TL;DR: Methyl 3-methoxysalicylate (CAS 6342-70-7) is a chemical compound with molecular formula C9H10O4 and molecular weight 182.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 2-hydroxy-3-methoxybenzoate
Also Known As: Methyl 3-methoxysalicylate, Methyl 2-hydroxy-3-methoxybenzoate, 2-Hydroxy-3-methoxybenzoic Acid Methyl Ester, Methyl3-Methoxysalicylate, methyl 3-methoxy-salicylate
| Molecular Formula | C9H10O4 |
|---|---|
| Molecular Weight | 182.06 g/mol |
| LogP | 2.3 |
| Topological Polar Surface Area | 55.8 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 182.0579 |
| Heavy Atoms | 13 |
| Complexity | 180.0 |
Chemical Identifiers
| CAS Number | 6342-70-7 |
|---|---|
| SMILES | COC1=CC=CC(=C1O)C(=O)OC |
| InChIKey | BWRCJLJJIXYLNV-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 6 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Methyl 3-methoxysalicylate (CAS 6342-70-7), with molecular formula C9H10O4 and molecular weight 182.06 g/mol. IUPAC: methyl 2-hydroxy-3-methoxybenzoate.
Chemical Property Profile of Methyl 3-methoxysalicylate
Property Insights of Methyl 3-methoxysalicylate
The XLogP value of 2.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Methyl 3-methoxysalicylate. With a topological polar surface area (TPSA) of 55.8 Ų, Methyl 3-methoxysalicylate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Methyl 3-methoxysalicylate has 1 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Methyl 3-methoxysalicylate?
The CAS number of Methyl 3-methoxysalicylate is 6342-70-7.
What is the molecular formula of Methyl 3-methoxysalicylate?
The molecular formula of Methyl 3-methoxysalicylate is C9H10O4.
What is the molecular weight of Methyl 3-methoxysalicylate?
The molecular weight of Methyl 3-methoxysalicylate is 182.06 g/mol.
Where can I buy Methyl 3-methoxysalicylate?
You can request a quote for Methyl 3-methoxysalicylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Methyl 3-methoxysalicylate?
Yes, KEHONG BIO provides custom synthesis services for Methyl 3-methoxysalicylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.